General Information of the Compound
| Compound ID |
CP0426704
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| Compound Name |
4-[5-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[2-(dimethylamino)ethoxy]phenyl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
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| Structure |
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| Formula |
C23H24N6O2S
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| Molecular Weight |
448.552
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| Canonical SMILES |
CN(C)CCOc1ccc(cc1C#CC(C)(O)c1nccs1)-n1ccc2cnc(N)nc12
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| InChI |
InChI=1S/C23H24N6O2S/c1-23(30,21-25-9-13-32-21)8-6-16-14-18(4-5-19(16)31-12-11-28(2)3)29-10-7-17-15-26-22(24)27-20(17)29/h4-5,7,9-10,13-15,30H,11-12H2,1-3H3,(H2,24,26,27)
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| InChIKey |
ARMPPJOVFTTZIJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound